2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

C17H22N4OS — CID 18144733

IUPAC2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H22N4OS/c1-13(2)17(22)21-9-7-20(8-10-21)11-14-12-23-16(19-14)15-5-3-4-6-18-15/h3-6,12-13H,7-11H2,1-2H3
InChIKeyGSZNGBUTDGBRFJ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 18144733) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID18144733
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H22N4OS/c1-13(2)17(22)21-9-7-20(8-10-21)11-14-12-23-16(19-14)15-5-3-4-6-18-15/h3-6,12-13H,7-11H2,1-2H3
InChIKeyGSZNGBUTDGBRFJ-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 18144733) is 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(Cc2csc(-c3ccccn3)n2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is GSZNGBUTDGBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13(2)17(22)21-9-7-20(8-10-21)11-14-12-23-16(19-14)15-5-3-4-6-18-15/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 330.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18144733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).